4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid

C11H18N2O5S — CID 60951057

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-10(9(2)18-12-8)7-13(3)19(16,17)6-4-5-11(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyUNRXULPUZZDIPS-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.92
Rot. Bonds7

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid (PubChem CID 60951057) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid
PubChem CID60951057
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid
SMILESCc1noc(C)c1CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-10(9(2)18-12-8)7-13(3)19(16,17)6-4-5-11(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyUNRXULPUZZDIPS-UHFFFAOYSA-N
XLogP0.92
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid (CID 60951057) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid is Cc1noc(C)c1CN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid?
The InChIKey is UNRXULPUZZDIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-8-10(9(2)18-12-8)7-13(3)19(16,17)6-4-5-11(14)15/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid has a molecular weight of 290.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylsulfamoyl]butanoic acid is sourced from PubChem (CID 60951057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).